N-(2-butoxyethyl)piperazine-2-carboxamide

C11H23N3O2 — CID 63103640

IUPACN-(2-butoxyethyl)piperazine-2-carboxamide
SMILESCCCCOCCNC(=O)C1CNCCN1
InChIInChI=1S/C11H23N3O2/c1-2-3-7-16-8-6-14-11(15)10-9-12-4-5-13-10/h10,12-13H,2-9H2,1H3,(H,14,15)
InChIKeyBRHCGYUBLOBXFM-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.52
Rot. Bonds7

About N-(2-butoxyethyl)piperazine-2-carboxamide

N-(2-butoxyethyl)piperazine-2-carboxamide (PubChem CID 63103640) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(2-butoxyethyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)piperazine-2-carboxamide
PubChem CID63103640
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-(2-butoxyethyl)piperazine-2-carboxamide
SMILESCCCCOCCNC(=O)C1CNCCN1
InChIInChI=1S/C11H23N3O2/c1-2-3-7-16-8-6-14-11(15)10-9-12-4-5-13-10/h10,12-13H,2-9H2,1H3,(H,14,15)
InChIKeyBRHCGYUBLOBXFM-UHFFFAOYSA-N
XLogP-0.52
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-hydroxyethyl)piperazine-2-carboxamide
CID 129371742
(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide
CID 113481104
N-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide
CID 83121811
ethyl 2-(piperazine-2-carbonylamino)acetate
CID 54250774
N-(2-ethoxyethyl)pyrrolidine-2-carboxamide
CID 43591374
N-(2-butoxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892280
pentyl piperazine-2-carboxylate
CID 173092252
N-(2-ethoxyethyl)piperidine-2-carboxamide;hydrochloride
CID 119280657
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
N-(2,2-dimethylpropyl)piperazine-2-carboxamide
CID 63103456
(2R)-N-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxamide
CID 104901055
2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61171060

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)piperazine-2-carboxamide?
The IUPAC name of N-(2-butoxyethyl)piperazine-2-carboxamide (CID 63103640) is N-(2-butoxyethyl)piperazine-2-carboxamide.
What is the SMILES notation for N-(2-butoxyethyl)piperazine-2-carboxamide?
The canonical SMILES for N-(2-butoxyethyl)piperazine-2-carboxamide is CCCCOCCNC(=O)C1CNCCN1.
What is the InChIKey of N-(2-butoxyethyl)piperazine-2-carboxamide?
The InChIKey is BRHCGYUBLOBXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-3-7-16-8-6-14-11(15)10-9-12-4-5-13-10/h10,12-13H,2-9H2,1H3,(H,14,15).
What are the key properties of N-(2-butoxyethyl)piperazine-2-carboxamide?
N-(2-butoxyethyl)piperazine-2-carboxamide has a molecular weight of 229.32 g/mol, XLogP of -0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)piperazine-2-carboxamide is sourced from PubChem (CID 63103640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).